CAS RN: 899805-25-5
CC 930
Product Availability
Choose a grade to view its available package options.
15 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260327 | 100mg | Out of stock | Inquiry | |
| Batchno.20250129 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 1g | Out of stock | Inquiry | |
| Batchno.20250313 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250202 | 250mg | Out of stock | Inquiry | |
| Batchno.20260604 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250711 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20251021 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260125 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS899805-25-5
- Purity/Analytical Methods: >99.0%
899805-25-5 / 4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
Basic Information
CAS
899805-25-5
Multi CAS
Yes
Molecular Formula
C21F3H23N6O2
Molecular Weight
448.400000
Exact Mass
448.183458
InChI
InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1
InChIKey
IBGLGMOPHJQDJB-MOKVOYLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
111.28
TPSA
97.12
LogP / Solubility
WLOGP
3.66
MLOGP
3.25
XLogP3
3.1
Consensus LogP
3.34
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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